chempirical

Methyl 4,6-O-benzylidene-α-D-glucopyranoside

C14H18O6CAS 3162-96-7282.29 g/mol

Open in Covalent MOL file
OOOOOHHO
AcetalAlcoholEther

Properties

Molecular formula
C14H18O6
Molar mass
282.29 g/mol
Exact mass
282.1103 Da
Melting point
161–162 °C
logP
0.19Crippen estimate
Polar surface area
77.4 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
2
Stereocentres
S, R, S, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
3162-96-7
SMILES
CO[C@H]1O[C@@H]2COC(c3ccccc3)O[C@H]2[C@H](O)[C@H]1O
InChIKey
VVSWDMJYIDBTMV-BTZLDLHRSA-N
InChI
InChI=1S/C14H18O6/c1-17-14-11(16)10(15)12-9(19-14)7-18-13(20-12)8-5-3-2-4-6-8/h2-6,9-16H,7H2,1H3/t9-,10-,11-,12-,13?,14+/m1/s1

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Names and synonyms

6 names
  • α-D-Glucopyranoside, methyl 4,6-O-(phenylmethylene)-
  • Glucopyranoside, methyl 4,6-O-benzylidene-, α-D-
  • Pyrano[3,2-d]-1,3-dioxin, α-D-glucopyranoside deriv.
  • Methyl 4,6-O-(phenylmethylene)-α-D-glucopyranoside
  • NSC 1681
  • Methyl 4,6-O-benzylidene-alpha-D-glucopyranoside

Work with Methyl 4,6-O-benzylidene-α-D-glucopyranoside

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Phenylmethyl 2-(acetylamino)-2-deoxy-4,6-O-(phenylmethylene)-α-D-glucopyranoside13343-63-053 % similar 2-Acetamido-4,6-O-benzylidene-2-deoxy-D-glucopyranose29776-43-052 % similar 1,3:4,6-Di-O-benzylidene-D-mannitol28224-73-951 % similar Di(p-tolylidene)sorbitol54686-97-445 % similar 4-Methyl-2-phenyl-1,3-dioxolane2568-25-444 % similar Di-O-methyl-β-cyclodextrin51166-71-343 % similar Methyl 2,3,4,6-tetra-O-benzyl-α-D-galactopyranoside53008-63-242 % similar cis-2-Phenyl-1,3-dioxan-5-ol4141-19-942 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Bis(2-methoxyethyl) phthalate117-82-8 Diglycidyl tetrahydrophthalate21544-03-6 Ethyl (3,4,5-trimethoxybenzoyl)acetate3044-56-2

Elsewhere

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